N-(3-phenylprop-2-ynyl)pent-2-en-1-amine

C14H17N — CID 146019761

IUPACN-(3-phenylprop-2-ynyl)pent-2-en-1-amine
SMILESCCC=CCNCC#Cc1ccccc1
InChIInChI=1S/C14H17N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h3-7,9-10,15H,2,12-13H2,1H3
InChIKeyVFTWUOPHCBMMDC-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.59
Rot. Bonds4

About N-(3-phenylprop-2-ynyl)pent-2-en-1-amine

N-(3-phenylprop-2-ynyl)pent-2-en-1-amine (PubChem CID 146019761) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)pent-2-en-1-amine.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)pent-2-en-1-amine
PubChem CID146019761
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-(3-phenylprop-2-ynyl)pent-2-en-1-amine
SMILESCCC=CCNCC#Cc1ccccc1
InChIInChI=1S/C14H17N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h3-7,9-10,15H,2,12-13H2,1H3
InChIKeyVFTWUOPHCBMMDC-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
N',N'-diethyl-N-(3-phenylprop-2-ynyl)ethane-1,2-diamine;dihydrochloride
CID 17295622
N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
2-methyl-1-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 102014487
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
1-N,1-N-dimethyl-2-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 82939226
5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
N-benzyl-3-(4-fluorophenyl)prop-2-yn-1-amine
CID 132551768
2,2,3-trimethyl-N-(3-phenylprop-2-ynyl)butan-1-amine
CID 114099863
[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
CID 103966358
N-[(E)-3-phenylprop-2-enyl]but-2-yn-1-amine
CID 112693036

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)pent-2-en-1-amine?
The IUPAC name of N-(3-phenylprop-2-ynyl)pent-2-en-1-amine (CID 146019761) is N-(3-phenylprop-2-ynyl)pent-2-en-1-amine.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)pent-2-en-1-amine?
The canonical SMILES for N-(3-phenylprop-2-ynyl)pent-2-en-1-amine is CCC=CCNCC#Cc1ccccc1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)pent-2-en-1-amine?
The InChIKey is VFTWUOPHCBMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h3-7,9-10,15H,2,12-13H2,1H3.
What are the key properties of N-(3-phenylprop-2-ynyl)pent-2-en-1-amine?
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)pent-2-en-1-amine is sourced from PubChem (CID 146019761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).